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TitleNew IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Journal, issue, pagesNat. Chem. Biol., Vol. 11, Page 878-886, Year 2015
Publish dateAug 25, 2015 (structure data deposition date)
AuthorsOkoye-Okafor, U.C. / Bartholdy, B. / Cartier, J. / Gao, E.N. / Pietrak, B. / Rendina, A.R. / Rominger, C. / Quinn, C. / Smallwood, A. / Wiggall, K.J. ...Okoye-Okafor, U.C. / Bartholdy, B. / Cartier, J. / Gao, E.N. / Pietrak, B. / Rendina, A.R. / Rominger, C. / Quinn, C. / Smallwood, A. / Wiggall, K.J. / Reif, A.J. / Schmidt, S.J. / Qi, H. / Zhao, H. / Joberty, G. / Faelth-Savitski, M. / Bantscheff, M. / Drewes, G. / Duraiswami, C. / Brady, P. / Groy, A. / Narayanagari, S.R. / Antony-Debre, I. / Mitchell, K. / Wang, H.R. / Kao, Y.R. / Christopeit, M. / Carvajal, L. / Barreyro, L. / Paietta, E. / Makishima, H. / Will, B. / Concha, N. / Adams, N.D. / Schwartz, B. / McCabe, M.T. / Maciejewski, J. / Verma, A. / Steidl, U.
External linksNat. Chem. Biol. / PubMed:26436839
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-5de1:
Crystal structure of human IDH1 in complex with GSK321A
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-59D:
(7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOxidoreductase/Oxidoreductase Inhibitor / IDH1 / allosteric inhibitor / NADP+ / Oxidoreductase-Oxidoreductase Inhibitor complex

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